Crystallography Open Database

Information card for entry 4105839

Preview

Coordinates	4105839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga Nd4 S9 Sb
Calculated formula	Ga Nd4 S9 Sb
Title of publication	In-Phase Alignments of Asymmetric Building Units in Ln4GaSbS9 (Ln = Pr, Nd, Sm, Gd-Ho) and Their Strong Nonlinear Optical Responses in Middle IR
Authors of publication	Mei-Chun Chen; Long-Hua Li; Yu-Biao Chen; Ling Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	4617 - 4624
a	13.759 ± 0.005 Å
b	14.113 ± 0.005 Å
c	14.3 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2776.8 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0194
Residual factor for significantly intense reflections	0.0165
Weighted residual factors for significantly intense reflections	0.0381
Weighted residual factors for all reflections included in the refinement	0.0693
Goodness-of-fit parameter for all reflections included in the refinement	1.228
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178804 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/58.	4105839.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105839.cif
52609	2012-04-12	../uploads/cif-deposit/cod/cif Adding structures of 4105839 via cif-deposit CGI script.	4105839.cif